SCHEMBL8125686

SCHEMBL8125686

CC(C(=O)NCC(=O)O)c1cc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.48
CYP1A2 P05177 2/20 0.48
PTGES O14684 1/20 0.48
LMNA P02545 1/20 0.48
LTA4H P09960 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
ALOX5AP P20292 1/20 0.48
LOX P28300 1/20 0.48
EPHX2 P34913 1/20 0.48
PTGS2 P35354 1/20 0.48
LTB4R Q15722 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5542170 0.79 ALOX5 (0.57) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL14215435 0.76 ALOX5 (0.54) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL6137585 0.73 MME (0.62) LMNAPTGS2
SCHEMBL5511661 0.71 ALOX5 (0.55) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL8006215 0.70 BCL2L1 (0.57)
SCHEMBL656970 0.70 BCL2L1 (0.47) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL16399862 0.69 ALOX5 (0.55) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL1444769 0.69 ALOX5 (0.55) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL10925685 0.69 BCL2L1 (0.50) PTGS2
Hydrochloric Acid SCHEMBL7924021 0.69 BCL2L1 (0.50) PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0692982-B1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS DU PONT PHARM CO (US) 2000-07-05 EP disclosed
EP-0995761-A2 Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders Dupont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
US-6022523-A NOVEL CYCLIC COMPOUNDS CONTAINING CARBOCYCLIC AND HETEROCYCLIC RING SYSTEMS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-08 US disclosed
US-5879657-A Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1999-03-09 US disclosed
EP-0692982-A4 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS DU PONT MERCK PHARMA (US) 1998-03-11 EP disclosed
EP-0692982-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-24 EP disclosed
WO-1994022494-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed